SCHEMBL9810856

SCHEMBL9810856

CC(Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
RAB9A P51151 1/20 0.40
SSTR1 P30872 2/20 0.39
SSTR3 P32745 2/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9810846 0.86 EBP (0.53) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9810850 0.86 EBP (0.53) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9164585 0.77 EBP (0.52) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9845765 0.76 EBP (0.51) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9810872 0.76 EBP (0.51) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9167737 0.75 EBP (0.50) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9164655 0.75 EBP (0.50) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL9821267 0.73 EBP (0.43) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL8852831 0.73 SIGMAR1 (0.62) ALDH1A1KDM4EEBPSIGMAR1ADORA3
SCHEMBL27299018 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EFAAHMGLLMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed